SCHEMBL2234735

SCHEMBL2234735

Cn1cnc2c(=O)n(-c3ccc(F)cc3)c(Oc3cc(F)c(F)c(F)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
TRPV4 Q9HBA0 3/20 0.38
CYP1A2 P05177 4/20 0.36
USP2 O75604 3/20 0.36
CYP3A4 P08684 3/20 0.36
GLA P06280 1/20 0.36
MAPK14 Q16539 4/20 0.36
TP53 P04637 1/20 0.36
MET P08581 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
AOC3 Q16853 1/20 0.34
ALDH1A2 O94788 1/20 0.34
ALDH1A3 P47895 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2236630 0.91 SMN1; SMN2 (0.38) HTTCYP1A2USP2CYP3A4MAPK14
SCHEMBL2234980 0.88 MAPK14 (0.35) HTTNCOA3TRPV4CYP1A2USP2
SCHEMBL2234582 0.87 MAPK14 (0.43) MAPK14MET
SCHEMBL2233133 0.87 NCOA3 (0.39) HTTNCOA3TRPV4CYP1A2USP2
SCHEMBL2235841 0.87 MAPK14 (0.37) HTTNCOA3TRPV4CYP1A2USP2
SCHEMBL2237274 0.86 MAPK14 (0.33) CYP1A2USP2CYP3A4MAPK14TP53
SCHEMBL2235506 0.86 HTT (0.36) HTTNCOA3TRPV4CYP1A2USP2
SCHEMBL2237959 0.86 MET (0.38) HTTNCOA3TRPV4CYP1A2USP2
SCHEMBL2234146 0.86 NCOA3 (0.36) HTTNCOA3TRPV4CYP1A2USP2
SCHEMBL2235279 0.85 TRPV4 (0.41) HTTNCOA3TRPV4CYP1A2USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
EP-2061794-B1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORP (US) 2012-12-05 EP disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 US disclosed
WO-2008024438-A2 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2008-02-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES GPR174, GPR17, PTGFR HTT 2063/4885NCOA3 841/4885TRPV4 1155/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR HTT 2063/4885NCOA3 841/4885TRPV4 1155/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.